(E)-but-2-enedioic acid; 2-(4-chloranyl-5-propan-2-yloxy-1H-indol-3-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-chloranyl-5-propan-2-yloxy-1H-indol-3-yl)ethanamine Openeye Name: 2-(4-chloro-5-isopropoxy-1H-indol-3-yl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)ethanamine Traditional Name: 2-(4-chloro-5-isopropoxy-1H-indol-3-yl)ethylamine; fumaric acid Formula: C17H21ClN2O5 MolecularWeight: 368.81204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C2=C(C=C1)NC=C2CCN)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C2=C(C=C1)NC=C2CCN)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H17ClN2O.C4H4O4/c1-8(2)17-11-4-3-10-12(13(11)14)9(5-6-15)7-16-10;5-3(6)1-2-4(7)8/h3-4,7-8,16H,5-6,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+